SCHEMBL8766144

SCHEMBL8766144

CN(C(=O)OC(C)(C)C)C(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ SLC7A5 Q01650 1/20 0.43
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ MMP13 P45452 1/20 0.40
▸ REN P00797 1/20 0.39
▸ OPRK1 P41145 2/20 0.39
▸ ADORA1 P30542 1/20 0.38
▸ ESR1 P03372 2/20 0.38
▸ ESR2 Q92731 2/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ FOLH1 Q04609 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4778626 1.00 CTSS (0.44) CTSSCTSKSLC7A5ITGB3ITGA2B
SCHEMBL6661008 1.00 CTSS (0.44) CTSSCTSKSLC7A5ITGB3ITGA2B
SCHEMBL25173080 0.89 PPARG (0.40) SLC7A5ITGB3ITGA2BMMP13REN
SCHEMBL65502 0.89 MMP13 (0.46) CTSSCTSKSLC7A5ITGB3ITGA2B
SCHEMBL1401042 0.89 MMP13 (0.46) CTSSCTSKSLC7A5ITGB3ITGA2B
SCHEMBL2476924 0.89 MMP13 (0.46) CTSSCTSKSLC7A5ITGB3ITGA2B
SCHEMBL1401163 0.88 CTSS (0.46) CTSSCTSKITGB3ITGA2BMMP13
SCHEMBL7855989 0.88 ADORA1 (0.40) CTSSCTSKSLC7A5ITGB3ITGA2B
SCHEMBL20585552 0.88 TP53 (0.40) ITGB3ITGA2BMMP13RENADORA1
SCHEMBL7248901 0.88 CTSS (0.46) CTSSCTSKITGB3ITGA2BMMP13

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624599-B1 Derivatives of mono (6-amino-desoxy)cyclodextrin substituted in position 6 with an alpha aminoacid group, process of their preparation and applications OREAL (FR) 1997-07-30 — — EP claimed
US-20260077069-A1 COMBINATIONS OF CONTRAST AGENTS BAYER AG (DE) 2026-03-19 — — US disclosed
EP-4584251-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING Bayer Aktiengesellschaft (DE) 2025-07-16 — — EP disclosed
EP-4583925-A1 COMBINATIONS OF CONTRAST AGENTS Bayer Aktiengesellschaft (DE) 2025-07-16 — — EP disclosed
WO-2024052573-A1 COMBINATIONS OF CONTRAST AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 — — WO disclosed
WO-2024052549-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 — — WO disclosed
EP-4335840-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING Bayer Aktiengesellschaft (DE) 2024-03-13 — — EP disclosed
EP-4335461-A1 COMBINATIONS OF CONTRAST AGENTS Bayer AG (DE) 2024-03-13 — — EP disclosed
CN-109912683-B Cytotoxin molecule, conjugate, preparation method and application thereof 杭州多禧生物科技有限公司 2023-01-06 — — CN disclosed
CN-115505029-A Cytotoxin molecule, conjugate, preparation method and application thereof 杭州多禧生物科技有限公司 2022-12-23 — — CN disclosed
US-5216150-A Muscle relaxant; enzyme inhibitor and platelet aggutination inhibitor Hidaka, Hiroyoshi (JP) 1993-06-01 — — US disclosed
US-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 — — US disclosed
CN-1044098-A Compounds with vascular smooth muscle relaxing activity HIDAKA HIROYOSHI (JP) 1990-07-25 — — CN disclosed
EP-0081838-B1 CYCLOHEXYL AND PHENYL SUBSTITUTED ENKEPHALINS G.D. Searle & Co. (US) 1988-04-27 — — EP disclosed
US-4722922-A RENIN INHIBITION G. D. SEARLE & CO. (US) 1988-02-02 — — US disclosed
US-4603121-A ANALGESICS G. D. SEARLE & CO. (US) 1986-07-29 — — US disclosed
EP-0136720-A2 Enkephalin analogs G.D. Searle & Co. (US) 1985-04-10 — — EP disclosed
US-4495178-A Enkephalin analogs G. D. SEARLE & CO. (US) 1985-01-22 — — US disclosed
US-4407746-A Cyclohexyl and phenyl substituted enkephalins G. D. SEARLE & CO. (US) 1983-10-04 — — US disclosed
EP-0081838-A1 Cyclohexyl and phenyl substituted enkephalins G.D. Searle & Co. (US) 1983-06-22 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20260077069-A1 COMBINATIONS OF CONTRAST AGENTS GBA1, GBA3, GLS2 CTSS 386/4885CTSK 1543/4885SLC7A5 509/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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